N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide

C30H44N6O — CID 56599525

About N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide

N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 56599525) has the molecular formula C30H44N6O and a molecular weight of 504.72 g/mol. Its IUPAC name is N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 56599525
• Molecular Formula: C30H44N6O
• Molecular Weight: 504.72 g/mol
• Exact Mass: 504.36
• IUPAC Name: N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: CCCCN(CCCC)C(=O)c1cc2c(cn1)nc(Nc1ccc(C)cc1)n2CCCN1CCCCC1
• InChI: InChI=1S/C30H44N6O/c1-4-6-19-35(20-7-5-2)29(37)26-22-28-27(23-31-26)33-30(32-25-14-12-24(3)13-15-25)36(28)21-11-18-34-16-9-8-10-17-34/h12-15,22-23H,4-11,16-21H2,1-3H3,(H,32,33)
• InChIKey: YXWRBMATOIBMLU-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.72
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?

The IUPAC name of N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide (CID 56599525) is N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide.

What is the SMILES notation for N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?

The canonical SMILES for N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide is CCCCN(CCCC)C(=O)c1cc2c(cn1)nc(Nc1ccc(C)cc1)n2CCCN1CCCCC1.

What is the InChIKey of N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?

The InChIKey is YXWRBMATOIBMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N6O/c1-4-6-19-35(20-7-5-2)29(37)26-22-28-27(23-31-26)33-30(32-25-14-12-24(3)13-15-25)36(28)21-11-18-34-16-9-8-10-17-34/h12-15,22-23H,4-11,16-21H2,1-3H3,(H,32,33).

What are the key properties of N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide?

N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 504.72 g/mol, XLogP of 6.40, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dibutyl-2-(4-methylanilino)-1-(3-piperidin-1-ylpropyl)imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 56599525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).